N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide

C14H20F2N2O2 — CID 63754069

IUPACN-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide
SMILESCCCCN(CCN)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-2-3-9-18(10-8-17)13(19)11-6-4-5-7-12(11)20-14(15)16/h4-7,14H,2-3,8-10,17H2,1H3
InChIKeyIZWRIIWAUNYZMN-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.49
Rot. Bonds8

About N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide

N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide (PubChem CID 63754069) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide
PubChem CID63754069
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide
SMILESCCCCN(CCN)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-2-3-9-18(10-8-17)13(19)11-6-4-5-7-12(11)20-14(15)16/h4-7,14H,2-3,8-10,17H2,1H3
InChIKeyIZWRIIWAUNYZMN-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
CID 107493431
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
CID 63754246
2-bromo-N,N-dibutylbenzamide
CID 2843235
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide (CID 63754069) is N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide is CCCCN(CCN)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide?
The InChIKey is IZWRIIWAUNYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-3-9-18(10-8-17)13(19)11-6-4-5-7-12(11)20-14(15)16/h4-7,14H,2-3,8-10,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide?
N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide has a molecular weight of 286.32 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 63754069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).